SCHEMBL1903534

SCHEMBL1903534

O=C(NC1CCc2[nH]c3ccc(F)cc3c2C1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
HTR1A P08908 3/20 0.46
SLC6A4 P31645 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
VPS4B O75351 1/20 0.46
VCP P55072 1/20 0.46
RB1 P06400 1/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR1B P28222 2/20 0.45
HTR1D P28221 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HTR1E P28566 1/20 0.44
HTR7 P34969 1/20 0.44
OPRM1 P35372 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1903537 1.00 ACHE (0.51) ACHECA1CA2HTR1ASLC6A4
SCHEMBL14623662 0.89 CA1 (0.48) ACHECA1CA2HTR1AALDH1A1
SCHEMBL13478797 0.89 CA1 (0.48) ACHECA1CA2HTR1AALDH1A1
SCHEMBL1906344 0.88 CA1 (0.46) ACHECA1CA2HTR1AALDH1A1
SCHEMBL1906343 0.88 CA1 (0.46) ACHECA1CA2HTR1AALDH1A1
SCHEMBL1880036 0.87 CA1 (0.47) ACHECA1CA2HTR1AALDH1A1
SCHEMBL1879658 0.87 CA1 (0.47) ACHECA1CA2HTR1AALDH1A1
SCHEMBL1875741 0.86 CA1 (0.45) ACHECA1CA2HTR1AALDH1A1
SCHEMBL1900538 0.86 CA1 (0.46) ACHECA1CA2ALDH1A1GAA
SCHEMBL1900537 0.86 CA1 (0.46) ACHECA1CA2ALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065902-A1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-03-14 US disclosed
US-20130065902-A1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-03-14 US disclosed
EP-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130065902-A1 3-(HETEROARYL-AMINO)-1,2,3,4-TETRAHYDRO-9H-CARBAZOLE DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGDR, PTGER1, PTGDR2 ACHE 2917/4885CA1 4488/4885CA2 2212/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.